Commit 51b3b5fb authored by sjplimp's avatar sjplimp Committed by GitHub
Browse files

Merge pull request #264 from andeplane/IP_SNAP_SRD 

Initialize pointers in SNAP and SRD
parents 176f2c3a fb3ac9af

src/SNAP/compute_sna_atom.cpp

+2 −1
Original line number Diff line number Diff line
@@ -30,7 +30,8 @@ 
using namespace LAMMPS_NS;



ComputeSNAAtom::ComputeSNAAtom(LAMMPS *lmp, int narg, char **arg) :

  Compute(lmp, narg, arg)

  Compute(lmp, narg, arg), cutsq(NULL), list(NULL), sna(NULL), 

  radelem(NULL), wjelem(NULL)

{

  double rmin0, rfac0;

  int twojmax, switchflag;

src/SNAP/compute_snad_atom.cpp

+2 −1
Original line number Diff line number Diff line
@@ -30,7 +30,8 @@ 
using namespace LAMMPS_NS;



ComputeSNADAtom::ComputeSNADAtom(LAMMPS *lmp, int narg, char **arg) :

  Compute(lmp, narg, arg)

  Compute(lmp, narg, arg), cutsq(NULL), list(NULL), snad(NULL), 

  radelem(NULL), wjelem(NULL)

{

  double rfac0, rmin0;

  int twojmax, switchflag;

src/SNAP/compute_snav_atom.cpp

+3 −2
Original line number Diff line number Diff line
@@ -30,7 +30,8 @@ 
using namespace LAMMPS_NS;



ComputeSNAVAtom::ComputeSNAVAtom(LAMMPS *lmp, int narg, char **arg) :

  Compute(lmp, narg, arg)

  Compute(lmp, narg, arg), cutsq(NULL), list(NULL), snav(NULL),

  radelem(NULL), wjelem(NULL)

{

  double rfac0, rmin0;

  int twojmax, switchflag;

src/SRD/fix_srd.cpp

+7 −1
Original line number Diff line number Diff line
@@ -79,7 +79,13 @@ static const char cite_fix_srd[] = 


/* ---------------------------------------------------------------------- */



FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)

FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),

  wallfix(NULL), wallwhich(NULL), xwall(NULL), xwallhold(NULL), 

  vwall(NULL), fwall(NULL), avec_ellipsoid(NULL), avec_line(NULL), 

  avec_tri(NULL), random(NULL), randomshift(NULL), flocal(NULL), 

  tlocal(NULL), biglist(NULL), binhead(NULL), binnext(NULL), sbuf1(NULL), 

  sbuf2(NULL), rbuf1(NULL), rbuf2(NULL), nbinbig(NULL), binbig(NULL), 

  binsrd(NULL), stencil(NULL)

{

  if (lmp->citeme) lmp->citeme->add(cite_fix_srd);

src/SRD/fix_wall_srd.cpp

+1 −1
Original line number Diff line number Diff line
@@ -36,7 +36,7 @@ enum{NONE,EDGE,CONSTANT,VARIABLE}; 
/* ---------------------------------------------------------------------- */



FixWallSRD::FixWallSRD(LAMMPS *lmp, int narg, char **arg) :

  Fix(lmp, narg, arg)

  Fix(lmp, narg, arg), nwall(0), fwall(NULL), fwall_all(NULL)

{

  if (narg < 4) error->all(FLERR,"Illegal fix wall/srd command");

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